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7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
2FUH
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BU of 2fuh by Molmil
Solution Structure of the UbcH5c/Ub Non-covalent Complex
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 D3
Authors:Brzovic, P.S, Lissounov, A, Hoyt, D.W, Klevit, R.E.
Deposit date:2006-01-26
Release date:2006-03-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A UbcH5/Ubiquitin Noncovalent Complex Is Required for Processive BRCA1-Directed Ubiquitination.
Mol.Cell, 21, 2006
6FLM
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BU of 6flm by Molmil
Crystal structure of the human TRIM25 PRYSPRY domain
Descriptor: CHLORIDE ION, E3 ubiquitin/ISG15 ligase TRIM25, SULFATE ION
Authors:Cusack, S, Kowalinski, E.
Deposit date:2018-01-26
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Molecular mechanism of influenza A NS1-mediated TRIM25 recognition and inhibition.
Nat Commun, 9, 2018
1ACO
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BU of 1aco by Molmil
CRYSTAL STRUCTURE OF ACONITASE WITH TRANSACONITATE BOUND
Descriptor: ACONITASE, ACONITATE ION, IRON/SULFUR CLUSTER
Authors:Stout, C.D.
Deposit date:1993-01-17
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of aconitase with trans-aconitate and nitrocitrate bound.
J.Mol.Biol., 237, 1994
1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
Deposit date:2004-05-24
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
2G1R
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BU of 2g1r by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
7SGM
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BU of 7sgm by Molmil
Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with blocked excited state proton transfer and in complex with its antigen, CD40L
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c8* Fab heavy chain, ...
Authors:Henderson, J.N, Mills, J.H, Simmons, C.R.
Deposit date:2021-10-06
Release date:2022-02-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Blocked Excited State Proton Transfer in a Fluorescent, Photoacidic Non-Canonical Amino Acid-Containing Antibody Fragment.
J.Mol.Biol., 434, 2022
1NND
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BU of 1nnd by Molmil
Arginine 116 is Essential for Nucleic Acid Recognition by the Fingers Domain of Moloney Murine Leukemia Virus Reverse Transcriptase
Descriptor: Reverse Transcriptase
Authors:Crowther, R.L, Remeta, D.P, Minetti, C.A, Das, D, Montano, S.P, Georgiadis, M.M.
Deposit date:2003-01-13
Release date:2004-01-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and energetic characterization of nucleic acid-binding to the fingers domain of Moloney murine leukemia virus reverse transcriptase
Proteins, 57, 2004
3C3T
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BU of 3c3t by Molmil
Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
Authors:Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
Deposit date:2008-01-28
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
1NPS
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BU of 1nps by Molmil
CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF PROTEIN S
Descriptor: CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S
Authors:Wenk, M, Baumgartner, R, Mayer, E.M, Huber, R, Holak, T.A, Jaenicke, R.
Deposit date:1999-02-01
Release date:2000-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The domains of protein S from Myxococcus xanthus: structure, stability and interactions.
J.Mol.Biol., 286, 1999
3X41
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BU of 3x41 by Molmil
Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium bromide
Descriptor: BROMIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
Deposit date:2015-03-10
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
1JQB
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BU of 1jqb by Molmil
Alcohol Dehydrogenase from Clostridium Beijerinckii: Crystal Structure of Mutant with Enhanced Thermal Stability
Descriptor: NADP-dependent Alcohol Dehydrogenase, ZINC ION
Authors:Levin, I, Frolow, F, Bogin, O, Peretz, M, Hacham, Y, Burstein, Y.
Deposit date:2001-08-05
Release date:2002-11-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the enhanced thermal stability of alcohol dehydrogenase mutants from the mesophilic bacterium Clostridium beijerinckii: contribution of salt bridging
Protein Sci., 11, 2002
4O4I
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BU of 4o4i by Molmil
Tubulin-Laulimalide-Epothilone A complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
3LBF
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BU of 3lbf by Molmil
Crystal structure of Protein L-isoaspartyl methyltransferase from Escherichia coli
Descriptor: GLYCEROL, PHOSPHATE ION, Protein-L-isoaspartate O-methyltransferase, ...
Authors:Fang, P, Li, X, Wang, J, Niu, L, Teng, M.
Deposit date:2010-01-08
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the protein L-isoaspartyl methyltransferase from Escherichia coli
Cell Biochem.Biophys., 58, 2010
3BN6
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BU of 3bn6 by Molmil
Crystal Structure of the C2 Domain of Bovine Lactadherin at 1.67 Angstrom Resolution
Descriptor: Lactadherin
Authors:Shao, C, Novakovic, V.A, Head, J.F, Seaton, B.A, Gilbert, G.E.
Deposit date:2007-12-13
Release date:2007-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of lactadherin C2 domain at 1.7A resolution with mutational and computational analyses of its membrane-binding motif.
J.Biol.Chem., 283, 2008
1K34
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BU of 1k34 by Molmil
Crystal structure analysis of gp41 core mutant
Descriptor: Transmembrane glycoprotein GP41
Authors:Shu, W, Lu, M.
Deposit date:2001-10-01
Release date:2001-10-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion.
Biochemistry, 41, 2002
4O2A
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BU of 4o2a by Molmil
Tubulin-BAL27862 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O.
Deposit date:2013-12-17
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
6G3Q
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BU of 6g3q by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Ferraroni, M, Supuran, C.T, Angeli, A.
Deposit date:2018-03-26
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
3C3S
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BU of 3c3s by Molmil
Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
Authors:Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
Deposit date:2008-01-28
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
2EYR
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BU of 2eyr by Molmil
A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition
Descriptor: NKT12
Authors:Kjer-Nielsen, L, Borg, N.A.
Deposit date:2005-11-09
Release date:2006-03-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition
J.Exp.Med., 203, 2006
1G3P
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BU of 1g3p by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAINS OF BACTERIOPHAGE MINOR COAT PROTEIN G3P
Descriptor: MINOR COAT PROTEIN, SULFATE ION
Authors:Lubkowski, J, Hennecke, F, Pluckthun, A, Wlodawer, A.
Deposit date:1997-12-22
Release date:1998-01-28
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The structural basis of phage display elucidated by the crystal structure of the N-terminal domains of g3p.
Nat.Struct.Biol., 5, 1998
7K97
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BU of 7k97 by Molmil
Human DNA polymerase beta dGDP product complex with Mn2+
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Varela, F.A, Freudenthal, B.D.
Deposit date:2020-09-28
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
4PCA
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BU of 4pca by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
Authors:Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-04-14
Release date:2014-06-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
4MB5
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BU of 4mb5 by Molmil
Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase 60, DI(HYDROXYETHYL)ETHER, ...
Authors:Malecki, P.H, Vorgias, C.E, Rypniewski, W.
Deposit date:2013-08-19
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Acta Crystallogr.,Sect.D, 70, 2014
3HMR
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BU of 3hmr by Molmil
Crystal structure of the N-terminal fragment (31-127) of the mouse hepatocyte growth factor/scatter factor
Descriptor: Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for agonism and antagonism of hepatocyte growth factor.
Proc.Natl.Acad.Sci.USA, 107, 2010

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